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Information card for entry 4072536
Preview
Coordinates | 4072536.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 Cl N O P Rh |
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Calculated formula | C18 H26 Cl N O P Rh |
SMILES | [Rh]1(Cl)([P](C2=C([N]1(C)C)Cc1c2cccc1)(C(C)C)C(C)C)C#[O] |
Title of publication | Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene: A Comparative Synthetic, Structural, and Catalytic Investigation |
Authors of publication | Cipot, Judy; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 3 |
Pages of publication | 594 |
a | 9.438 ± 0.0004 Å |
b | 10.755 ± 0.0007 Å |
c | 9.71 ± 0.0006 Å |
α | 90° |
β | 102.118 ± 0.003° |
γ | 90° |
Cell volume | 963.66 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 4072533 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4072536.html
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